Contents

How to use the package
More about the package installation
Philosophy of the package (for developers)
Changelog
Hastily written ASE2SPRKKR slides

Links

ASE2SPRKKR homepage
ASE - atomic simulation environment
SPR-KKR
GitHub repository
PyPI package
SPR-KKR manual

Class documentation

ase2sprkkr
- ase
- bindings
- common
- input_parameters
- outputs
- physics
- potentials
- sprkkr
  - atomic_types
  - atoms_region
  - build
  - calculator
  - configuration
  - io_data
  - occupations
  - radial_meshes
  - reference_systems
  - sites
  - sprkkr_atoms
  - sprkkr_grammar_types
  - structure
  - sysfile
  - test
- tools
- version

ASE2SPRKKR

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floatjm
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floatjm

Full name: ase2sprkkr.sprkkr.structure.floatjm

ase2sprkkr.sprkkr.structure.floatjm(inp)[source]

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